SCHEMBL4563570

SCHEMBL4563570

CCCCC(O)Cc1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)c1CC

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.51
CNR1 P21554 8/20 0.51
KCNH2 Q12809 2/20 0.47
OPRL1 P41146 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2769826 0.83 CNR1 (0.59) CNR2CNR1KCNH2
SCHEMBL2769877 0.82 CNR2 (0.60) CNR2CNR1KCNH2OPRL1
SCHEMBL2770767 0.81 CNR2 (0.59) CNR2CNR1KCNH2OPRL1
Hydrochloric Acid SCHEMBL5378725 0.80 CNR2 (0.58) CNR2CNR1KCNH2OPRL1
SCHEMBL1381827 0.77 CNR2 (0.51) CNR2CNR1KCNH2OPRL1
SCHEMBL1380705 0.75 CNR1 (0.55) CNR2CNR1KCNH2OPRL1
SCHEMBL14125056 0.75 CNR2 (0.55) CNR2CNR1
SCHEMBL2873286 0.75 CNR1 (0.70) CNR2CNR1KCNH2
SCHEMBL3999243 0.75 CNR1 (0.70) CNR2CNR1KCNH2
SCHEMBL1377540 0.75 CNR1 (0.53) CNR2CNR1KCNH2OPRL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2026798-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS Solvay Pharmaceuticals GmbH (DE) 2009-02-25 EP disclosed
WO-2007125048-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-08 WO disclosed